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zinc 5,10,15,20-tetrakis[2,6-bis(chloranyl)phenyl]-2,3,7,8,12,13,17-heptanitro-porphyrin-22,24-diide

zinc 5,10,15,20-tetrakis[2,6-bis(chloranyl)phenyl]-2,3,7,8,12,13,17-heptanitro-porphyrin-22,24-diide

Systemtic Name:zinc 5,10,15,20-tetrakis[2,6-bis(chloranyl)phenyl]-2,3,7,8,12,13,17-heptanitro-porphyrin-22,24-diide
Openeye Name:zinc 5,10,15,20-tetrakis(2,6-dichlorophenyl)-2,3,7,8,12,13,17-heptanitro-porphyrin-22,24-diide
CAS Name:zinc 5,10,15,20-tetrakis(2,6-dichlorophenyl)-2,3,7,8,12,13,17-heptanitroporphyrin-22,24-diide
IUPAC Name:zinc 5,10,15,20-tetrakis(2,6-dichlorophenyl)-2,3,7,8,12,13,17-heptanitroporphyrin-22,24-diide
Traditional Name:zinc 5,10,15,20-tetrakis(2,6-dichlorophenyl)-2,3,7,8,12,13,17-heptanitro-porphine-22,24-diide
Formula: C44H13Cl8N11O14Zn
MolecularWeight: 1268.67232
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C2=C3C(=C(C(=N3)C(=C4C(=C(C(=C(C5=NC(=C(C6=C(C=C2[N-]6)[N+](=O)[O-])C7=C(C=CC=C7Cl)Cl)C(=C5[N+](=O)[O-])[N+](=O)[O-])C8=C(C=CC=C8Cl)Cl)[N-]4)[N+](=O)[O-])[N+](=O)[O-])C9=C(C=CC=C9Cl)Cl)[N+](=O)[O-])[N+](=O)[O-])Cl.[Zn+2]


Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C2=C3C(=C(C(=N3)C(=C4C(=C(C(=C(C5=NC(=C(C6=C(C=C2[N-]6)[N+](=O)[O-])C7=C(C=CC=C7Cl)Cl)C(=C5[N+](=O)[O-])[N+](=O)[O-])C8=C(C=CC=C8Cl)Cl)[N-]4)[N+](=O)[O-])[N+](=O)[O-])C9=C(C=CC=C9Cl)Cl)[N+](=O)[O-])[N+](=O)[O-])Cl.[Zn+2]


InChI

InChI=1S/C44H13Cl8N11O14.Zn/c45-14-5-1-6-15(46)24(14)28-22-13-23(57(64)65)32(53-22)29(25-16(47)7-2-8-17(25)48)34-40(59(68)69)42(61(72)73)36(55-34)31(27-20(51)11-4-12-21(27)52)38-44(63(76)77)43(62(74)75)37(56-38)30(26-18(49)9-3-10-19(26)50)35-41(60(70)71)39(58(66)67)33(28)54-35;/h1-13H;/q-2;+2


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